Structure Database (LMSD)
Common Name
5-HOME(2)
Systematic Name
5-hydroxy-2-octadecenoic acid
Synonyms
- 2-Octadecenoic acid, 5-hydroxy-
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-HOME(2)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VXSVRGKQXAZESE-DTQAZKPQSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h13,16-17,19H,2-12,14-15H2,1H3,(H,20,21)/b16-13+
SMILES (Click to copy)
C(/C=C/CC(O)CCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
341.05
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.37
Molar Refractivity
88.99
Admin
Created at
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Updated at
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